4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene

C47H32 — CID 177265101

IUPAC4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3cc4cccc(-c5ccccc5)c4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C47H32/c1-3-16-32(17-4-1)36-22-8-7-20-34(36)30-44-38-23-9-13-27-42(38)47(43-28-14-10-24-39(43)44)45-31-35-21-15-29-37(33-18-5-2-6-19-33)46(35)41-26-12-11-25-40(41)45/h1-29,31H,30H2
InChIKeyIWRFGACIYVFXSM-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.89
Rot. Bonds5

About 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene

4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene (PubChem CID 177265101) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene.

Molecular Properties

Compound Name4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
PubChem CID177265101
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
SMILESc1ccc(-c2ccccc2Cc2c3ccccc3c(-c3cc4cccc(-c5ccccc5)c4c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C47H32/c1-3-16-32(17-4-1)36-22-8-7-20-34(36)30-44-38-23-9-13-27-42(38)47(43-28-14-10-24-39(43)44)45-31-35-21-15-29-37(33-18-5-2-6-19-33)46(35)41-26-12-11-25-40(41)45/h1-29,31H,30H2
InChIKeyIWRFGACIYVFXSM-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177264885
9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177265103
9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177264907
6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167393021
2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 176754857
4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013
5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
CID 123600813
9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene
CID 176862355
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167392397
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
The IUPAC name of 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene (CID 177265101) is 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene.
What is the SMILES notation for 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
The canonical SMILES for 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene is c1ccc(-c2ccccc2Cc2c3ccccc3c(-c3cc4cccc(-c5ccccc5)c4c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
The InChIKey is IWRFGACIYVFXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-3-16-32(17-4-1)36-22-8-7-20-34(36)30-44-38-23-9-13-27-42(38)47(43-28-14-10-24-39(43)44)45-31-35-21-15-29-37(33-18-5-2-6-19-33)46(35)41-26-12-11-25-40(41)45/h1-29,31H,30H2.
What are the key properties of 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene has a molecular weight of 596.77 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene is sourced from PubChem (CID 177265101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).